Crystallography Open Database

Information card for entry 7022091

7022090 << 7022091 >> 7022092

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Coordinates	7022091.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N,N'-bis((2-methylthio)phenylmethylene)-1,2-ethanediamine
Chemical name	N,N'-bis[(2-methylthio)phenylmethylene]-1,2-ethanediamine
Formula	C18 H20 N2 S2
Calculated formula	C18 H20 N2 S2
SMILES	c1ccc(/C=N/CC/N=C/c2ccccc2SC)c(c1)SC
Title of publication	Reaction time dependent formation of Pd(II) and Pt(II) complexes of bis(methyl)thiasalen podand.
Authors of publication	Dutta, Pradip Kr; Panda, Snigdha; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	2
Pages of publication	476 - 483
a	4.929 ± 0.0013 Å
b	7.326 ± 0.002 Å
c	11.923 ± 0.003 Å
α	86.404 ± 0.006°
β	86.201 ± 0.006°
γ	79.514 ± 0.005°
Cell volume	421.85 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179925 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/20.	7022091.cif
89973	2013-11-17	cif/ Adding structures of 7022091, 7022092, 7022093, 7022094 via cif-deposit CGI script.	7022091.cif